≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504768736 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768736 |
| Canonical Smiles | C1=CC(=C(C=C1CCl)[N+](=O)[O-])F |
| IUPAC Name | 4-(chloromethyl)-1-fluoro-2-nitrobenzene |
| InChIKey | ZEANBUCPNMDYES-UHFFFAOYSA-N |
| INCHI | 1S/C7H5ClFNO2/c8-4-5-1-2-6(9)7(3-5)10(11)12/h1-3H,4H2 |
| Isomeric SMILES | C1=CC(=C(C=C1CCl)[N+](=O)[O-])F |
| Molecular Weight | 189.57 |
| Reaxy-Rn | 744137 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=744137&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Benzyl chlorides Fluorobenzenes Aryl fluorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organofluorides Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Benzyl chloride - Benzyl halide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2626026 | Certificate of Analysis | Apr 10, 2026 | C191928 |
| B2212107 | Certificate of Analysis | Nov 19, 2024 | C191928 |
| B2212111 | Certificate of Analysis | Nov 19, 2024 | C191928 |
| B2212112 | Certificate of Analysis | Nov 19, 2024 | C191928 |
| B2212117 | Certificate of Analysis | Nov 19, 2024 | C191928 |
| Molecular Weight | 189.570 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 188.999 Da |
| Monoisotopic Mass | 188.999 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 173.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
